7-cyclopentyl-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine | 717900-67-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 7-cyclopentyl-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine
• 英文别名: 7-cyclopentyl-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-ylamine；7-cyclopentyl-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
• CAS: 717900-67-9
• 化学式: C₁₁H₁₃IN₄
• 分子量: 328.156
• InChiKey: APFFKRYHKKJVGF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  56.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-cyclopentyl-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine 在 bis-triphenylphosphine-palladium(II) chloride 、 sodium carbonate 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Development of small molecules targeting the pseudokinase Her3

  摘要：

  Her3 is a member of the human epidermal growth factor receptor (EGFR) tyrosine kinase family, and it is often either overexpressed or deregulated in many types of human cancer. Her3 has not been the subject of small-molecule inhibitor development because it is a pseudokinase and does not possess appreciable kinase activity. We recently reported on the development of the first selective irreversible Her3 ligand (TX1-85-1) that forms a covalent bond with cysteine 721 which is unique to Her3 among all kinases. We also developed a bi-functional compound (TX2-121-1) containing a hydrophobic adamantane moiety and the same warhead of TX1-85-1 that is capable of inhibiting Her3-dependent signaling and growth. Here we report on the structure-based medicinal chemistry effort that resulted in the discovery of these two compounds. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.04.103
• 作为产物：
  描述：

  4-氯-7-环戊基-5-碘-7H-吡咯并[2,3-d]嘧啶 在 氨 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以92%的产率得到7-cyclopentyl-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  参考文献：
  名称：

  [EN] PYRROLOPYRIMIDINE DERIVATIVES
  [FR] DERIVES DE PYRROLOPYRIMIDINE

  摘要：

  这项发明涉及公式1的化合物或其药学上可接受的盐、前药或水合物，其中Q、A、L、R1、R2和R3如本文所定义。该发明还涉及含有公式1化合物的药物组合物，以及通过给予公式1化合物来治疗哺乳动物的过度增殖性疾病的方法。

  公开号：

  WO2004056830A1

文献信息

• [EN] PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS DE 6-AMINO-7-DÉSAZA-PURINE, PROCÉDÉ POUR LES PRÉPARER ET LEUR UTILISATION COMME INHIBITEURS DE KINASES
  申请人：NERVIANO MEDICAL SCIENCES SRL

  公开号：WO2014184069A1

  公开（公告）日：2014-11-20

  The present invention relates to 6-amino-7-deaza-purine derivatives which modulate the activity of protein kinases and are therefore useful in treating diseases caused by dysregulated protein kinase activity, in particular RET family kinases. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising these compounds, and methods of treating diseases utilizing pharmaceutical compositions containing these compounds.

  本发明涉及调节蛋白激酶活性的6-氨基-7-去氮嘌呤衍生物，因此在治疗由失调的蛋白激酶活性引起的疾病中特别有用，尤其是RET家族激酶。本发明还提供了制备这些化合物的方法，包括这些化合物的药物组合物，以及利用含有这些化合物的药物组合物治疗疾病的方法。
• [EN] 6-AMINO-7-BICYCLO-7-DEAZA-PURINE DERIVATIVES AS PROTEIN KINASE INHIBITORS<br/>[FR] DÉRIVÉS 6-AMINO -7-BICYCLO -7-DÉAZAPURINE UTILES EN TANT QU'INHIBITEURS DE PROTÉINE KINASE
  申请人：NERVIANO MEDICAL SCIENCES SRL

  公开号：WO2016075224A1

  公开（公告）日：2016-05-19

  The present invention relates to 6-amino-7-bicyclo-7-deaza-purine derivatives which modulate the activity of protein kinases and are therefore useful in treating diseases caused by dysregulated protein kinase activity, in particular RET family kinases. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising these compounds, and methods of treating diseases utilizing pharmaceutical compositions containing these compounds.

  本发明涉及6-氨基-7-双环-7-去氮嘌呤衍生物，其调节蛋白激酶的活性，因此在治疗由失调的蛋白激酶活性引起的疾病，特别是RET家族激酶方面具有用途。本发明还提供了制备这些化合物的方法，包含这些化合物的药物组合物，以及利用含有这些化合物的药物组合物治疗疾病的方法。
• Pyrrolopyrimidine derivatives
  申请人：La Greca D. Susan

  公开号：US20050037999A1

  公开（公告）日：2005-02-17

  The invention relates to compounds of the formula 1 or a pharmaceutically acceptable salt, prodrug or hydrates thereof, wherein Q, A, L, R 1 , R 2 and R 3 are as defined herein. The invention also relates to pharmaceutical compositions containing the compounds of formula 1 and to methods of treating hyperproliferative disorders in a mammal by administering the compounds of formula 1.

  本发明涉及式1的化合物或其药学上可接受的盐、前药或水合物，其中Q、A、L、R1、R2和R3的定义如本文所述。本发明还涉及含有式1化合物的药物组合物，以及通过给予式1化合物治疗哺乳动物的增殖过度疾病的方法。
• PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS KINASE INHIBITORS
  申请人：NERVIANO MEDICAL SCIENCES S.R.L.

  公开号：US20160166575A1

  公开（公告）日：2016-06-16

  The present invention relates to 6-amino-7-deaza-purine derivatives which modulate the activity of protein kinases and are therefore useful in treating diseases caused by dysregulated protein kinase activity, in particular RET family kinases. The present invention also provides methods for preparing these compounds, pharmaceutical compositions comprising these compounds, and methods of treating diseases utilizing pharmaceutical compositions containing these compounds.

  本发明涉及6-氨基-7-去氮嘌呤衍生物，其调节蛋白激酶的活性，因此在治疗由失调的蛋白激酶活性引起的疾病，特别是RET家族激酶方面非常有用。本发明还提供了制备这些化合物的方法，包括这些化合物的药物组合物，以及利用含有这些化合物的药物组合物治疗疾病的方法。
• [EN] PERFLUOROALKANE SUBSTITUTED PYRAZOLO[3,4-D]PYRIMIDIN AND PYRROLO[2,3-D]PYRIMIDIN COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE PYRAZOLO[3,4-D]PYRIMIDINE ET DE PYRROLO[2,3-D]PYRIMIDINE SUBSTITUÉS PAR UN PERFLUOROALCANE ET LEURS UTILISATIONS
  申请人：ICAHN SCHOOL MED MOUNT SINAI

  公开号：WO2022261352A1

  公开（公告）日：2022-12-15

  The present disclosure relates to compounds of formula (I) having the following structure: and to compounds of formula (II) having the structure: or stereoisomers, pharmaceutically acceptable salts, oxides, or solvates thereof, where R1, R2, R3, R4, and R5are as described herein. The present disclosure also relates to compositions containing the compounds having the structure of formula (I) and/or formula (II), and treatment methods in a subject using the compounds and/or compositions.

  本公开涉及具有以下结构的式（I）化合物，以及具有以下结构的式（II）化合物，或其立体异构体、药学上可接受的盐、氧化物或溶剂化物，其中R1、R2、R3、R4和R5如本文所述。本公开还涉及含有式（I）和/或式（II）结构的化合物的组合物，以及使用这些化合物和/或组合物在受试者中进行治疗的方法。